Chemical ID: 5860801

CC(C)CC(C(=O)NN=Cc1cccc2c1cccc2)NC(=O)c3ccc(cc3)Cl
Chemical ID:
5860801
Name [?]:
4-chloro-N-[3-methyl-1-(1-naphthylmethyleneaminocarbamoyl)butyl]-benzamide
SMILES [?]:
CC(C)CC(C(=O)NN=Cc1cccc2c1cccc2)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H24ClN3O2/c1-16(2)14-22(27-23(29)18-10-12-20(25)13-11-18)24(30)28-26-15-19-8-5-7-17-6-3-4-9-21(17)19/h3-13,15-16,22H,14H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,13,20,14,12,17,25,29,26,28,4,10,2,15,24,11,27,16,5,22,6,30,9,21,8,23,7/E:(1,2)(10,11)(12,13)/rA:30cCCCCCCONNCCCCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;w9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s5;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24ClN3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.8612
Area:659.843
Solvation:-3.63486
Coulombic:-44.7187
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:421.919
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:7.01
LogP (Chemaxon):5.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue